1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide

C14H18N2O3 — CID 136532081

IUPAC1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2cccc(OC)c2)C1
InChIInChI=1S/C14H18N2O3/c1-15-14(18)11-8-16(9-11)13(17)7-10-4-3-5-12(6-10)19-2/h3-6,11H,7-9H2,1-2H3,(H,15,18)
InChIKeySSENHUKIRMGTEH-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.44
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide

1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide (PubChem CID 136532081) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide
PubChem CID136532081
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2cccc(OC)c2)C1
InChIInChI=1S/C14H18N2O3/c1-15-14(18)11-8-16(9-11)13(17)7-10-4-3-5-12(6-10)19-2/h3-6,11H,7-9H2,1-2H3,(H,15,18)
InChIKeySSENHUKIRMGTEH-UHFFFAOYSA-N
XLogP0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 80667787
1-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 121093062
2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
CID 90627458
(3S)-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68614064
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394
1-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(3-methoxyphenyl)ethanone
CID 102680378
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110706988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide (CID 136532081) is 1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(C(=O)Cc2cccc(OC)c2)C1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide?
The InChIKey is SSENHUKIRMGTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-14(18)11-8-16(9-11)13(17)7-10-4-3-5-12(6-10)19-2/h3-6,11H,7-9H2,1-2H3,(H,15,18).
What are the key properties of 1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide?
1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 136532081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).